2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-methoxy-[1,3]oxazolo[4,5-b]pyridine

C14H18N4O2 — CID 46179722

IUPAC2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-methoxy-[1,3]oxazolo[4,5-b]pyridine
SMILESCOc1ccc2oc(N3CCN4CCC3CC4)nc2n1
InChIInChI=1S/C14H18N4O2/c1-19-12-3-2-11-13(15-12)16-14(20-11)18-9-8-17-6-4-10(18)5-7-17/h2-3,10H,4-9H2,1H3
InChIKeyWJXIBLXJBTVURN-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.52
Rot. Bonds2

About 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-methoxy-[1,3]oxazolo[4,5-b]pyridine

2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-methoxy-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 46179722) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-methoxy-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-methoxy-[1,3]oxazolo[4,5-b]pyridine
PubChem CID46179722
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-methoxy-[1,3]oxazolo[4,5-b]pyridine
SMILESCOc1ccc2oc(N3CCN4CCC3CC4)nc2n1
InChIInChI=1S/C14H18N4O2/c1-19-12-3-2-11-13(15-12)16-14(20-11)18-9-8-17-6-4-10(18)5-7-17/h2-3,10H,4-9H2,1H3
InChIKeyWJXIBLXJBTVURN-UHFFFAOYSA-N
XLogP1.52
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-methoxy-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-methoxy-[1,3]oxazolo[4,5-b]pyridine (CID 46179722) is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-methoxy-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-methoxy-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-methoxy-[1,3]oxazolo[4,5-b]pyridine is COc1ccc2oc(N3CCN4CCC3CC4)nc2n1.
What is the InChIKey of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-methoxy-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is WJXIBLXJBTVURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-19-12-3-2-11-13(15-12)16-14(20-11)18-9-8-17-6-4-10(18)5-7-17/h2-3,10H,4-9H2,1H3.
What are the key properties of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-methoxy-[1,3]oxazolo[4,5-b]pyridine?
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-methoxy-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 274.32 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-methoxy-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 46179722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).